Geometry & MOs

Info

ID:	213594
PubChem CID:	81064340
Reduced:	BrNSO3C14H18 (1)
Stoich.:	ABCD3E14F18 (1)
Weight, g/mol:	255.183444
ΔH_f, kcal/mol:	-123.87
Dipole, Da:	2.5
IP(EA), eV:	-9.05(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2-cyclohexylacetyl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)CSC1=CC=C(C=C1)Br

DOS

IR

Vibrations